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We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

Machine Learning · Computer Science 2019-01-30 Wengong Jin , Kevin Yang , Regina Barzilay , Tommi Jaakkola

Data association across frames is at the core of Multiple Object Tracking (MOT) task. This problem is usually solved by a traditional graph-based optimization or directly learned via deep learning. Despite their popularity, we find some…

Computer Vision and Pattern Recognition · Computer Science 2021-03-31 Jiawei He , Zehao Huang , Naiyan Wang , Zhaoxiang Zhang

Magnetic resonance imaging (MRI) acquisition, reconstruction, and segmentation are usually processed independently in the conventional practice of MRI workflow. It is easy to notice that there are significant relevances among these tasks…

Image and Video Processing · Electrical Eng. & Systems 2021-05-17 Zhiwen Wang , Wenjun Xia , Zexin Lu , Yongqiang Huang , Yan Liu , Hu Chen , Jiliu Zhou , Yi Zhang

Label propagation is a powerful and flexible semi-supervised learning technique on graphs. Neural networks, on the other hand, have proven track records in many supervised learning tasks. In this work, we propose a training framework with a…

Machine Learning · Computer Science 2017-03-16 Thang D. Bui , Sujith Ravi , Vivek Ramavajjala

We consider a class of a nested optimization problems involving inner and outer objectives. We observe that by taking into explicit account the optimization dynamics for the inner objective it is possible to derive a general framework that…

Machine Learning · Statistics 2019-08-22 Luca Franceschi , Michele Donini , Paolo Frasconi , Massimiliano Pontil

Combinatorial Optimization (CO) has been a long-standing challenging research topic featured by its NP-hard nature. Traditionally such problems are approximately solved with heuristic algorithms which are usually fast but may sacrifice the…

Machine Learning · Computer Science 2021-10-26 Runzhong Wang , Zhigang Hua , Gan Liu , Jiayi Zhang , Junchi Yan , Feng Qi , Shuang Yang , Jun Zhou , Xiaokang Yang

We present a hierarchical neural message passing architecture for learning on molecular graphs. Our model takes in two complementary graph representations: the raw molecular graph representation and its associated junction tree, where nodes…

Machine Learning · Computer Science 2020-06-23 Matthias Fey , Jan-Gin Yuen , Frank Weichert

Decentralized learning (DL) enables collaborative machine learning (ML) without a central server, making it suitable for settings where training data cannot be centrally hosted. We introduce Mosaic Learning, a DL framework that decomposes…

A common strategy in modern learning systems is to learn a representation that is useful for many tasks, a.k.a. representation learning. We study this strategy in the imitation learning setting for Markov decision processes (MDPs) where…

Machine Learning · Computer Science 2020-02-26 Sanjeev Arora , Simon S. Du , Sham Kakade , Yuping Luo , Nikunj Saunshi

Neural networks are discrete entities: subdivided into discrete layers and parametrized by weights which are iteratively optimized via difference equations. Recent work proposes networks with layer outputs which are no longer quantized but…

Neural and Evolutionary Computing · Computer Science 2019-09-09 Stefano Massaroli , Michael Poli , Federico Califano , Angela Faragasso , Jinkyoo Park , Atsushi Yamashita , Hajime Asama

Robust multimodal visual analytics remains challenging when heterogeneous modalities provide complementary but input-dependent evidence for decision-making.Existing multimodal learning methods mainly rely on fixed fusion modules or…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Tianyi Liu , Yiming Li , Wenqian Wang , Jiaojiao Wang , Chen Cai , Yi Wang , Kim-Hui Yap

Gradient-based meta-learners such as MAML are able to learn a meta-prior from similar tasks to adapt to novel tasks from the same distribution with few gradient updates. One important limitation of such frameworks is that they seek a common…

Machine Learning · Computer Science 2018-12-19 Risto Vuorio , Shao-Hua Sun , Hexiang Hu , Joseph J. Lim

Consider end-to-end training of a multi-modal vs. a single-modal network on a task with multiple input modalities: the multi-modal network receives more information, so it should match or outperform its single-modal counterpart. In our…

Computer Vision and Pattern Recognition · Computer Science 2020-04-06 Weiyao Wang , Du Tran , Matt Feiszli

Federated learning learns from scattered data by fusing collaborative models from local nodes. However, due to chaotic information distribution, the model fusion may suffer from structural misalignment with regard to unmatched parameters.…

Machine Learning · Computer Science 2022-03-22 Fuxun Yu , Weishan Zhang , Zhuwei Qin , Zirui Xu , Di Wang , Chenchen Liu , Zhi Tian , Xiang Chen

State-of-the-art schemes for performance analysis and optimization of multiple-input multiple-output systems generally experience degradation or even become invalid in dynamic complex scenarios with unknown interference and channel state…

Information Theory · Computer Science 2022-07-01 Fan Meng , Shengheng Liu , Yongming Huang , Zhaohua Lu

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations…

Machine Learning · Computer Science 2023-09-14 Jeffrey Gu , Kuan-Chieh Wang , Serena Yeung

Many machine learning algorithms have been developed under the assumption that data sets are already available in batch form. Yet in many application domains data is only available sequentially overtime via compute nodes in different…

Optimization and Control · Mathematics 2020-09-10 Alfredo Garcia , Luochao Wang , Jeff Huang , Lingzhou Hong

Pareto Set Learning (PSL) is an emerging research area in multi-objective optimization, focusing on training neural networks to learn the mapping from preference vectors to Pareto optimal solutions. However, existing PSL methods are limited…

Machine Learning · Computer Science 2025-04-08 Chikai Shang , Rongguang Ye , Jiaqi Jiang , Fangqing Gu

Clouds gather a vast volume of telemetry from their networked systems which contain valuable information that can help solve many of the problems that continue to plague them. However, it is hard to extract useful information from such raw…

Networking and Internet Architecture · Computer Science 2020-04-28 Behnaz Arzani , Bita Rouhani

Mutual learning is an ensemble training strategy to improve generalization by transferring individual knowledge to each other while simultaneously training multiple models. In this work, we propose an effective mutual learning method for…

Computer Vision and Pattern Recognition · Computer Science 2020-09-10 Wonpyo Park , Wonjae Kim , Kihyun You , Minsu Cho
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